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CAS 1602922-03-1 Methanesulfonato[4,6-bis(diphenylphosphino)phenoxazine](2′-amino-1,1′-biphenyl-2-yl)palladium(II) molecular structure lightbox
CAS RN: 1602922-03-1

Methanesulfonato[4,6-bis(diphenylphosphino)phenoxazine](2′-amino-1,1′-biphenyl-2-yl)palladium(II)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260522 1g In stock Shanghai Inquiry
Batchno.20250719 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260119 5g In stock Shanghai Inquiry
  • Product code: SSC-068279
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1602922-03-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1602922-03-1 / (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane;methanesulfonic acid;palladium;2-phenylaniline

Standard CAS: 1602922-03-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1602922-03-1
Multi CAS
No
Molecular Formula
C49H41N2O4P2PdS-
Molecular Weight
922.300000
Exact Mass
921.129710
SMILES
CS(=O)(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C(N4)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
InChI
InChI=1S/C36H27NOP2.C12H10N.CH4O3S.Pd/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h1-26,37H;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;
InChIKey
UWXQGGFJCNBWEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
59
Aromatic heavy atom count
48
Fraction Csp3
0.02
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
246.25
TPSA
101.65

LogP / Solubility

WLOGP
9.29
MLOGP
8.26
XLogP3
9.29
Consensus LogP
8.95
Log S (ESOL)
-11.55
Class (ESOL)
Insoluble
Log S (Ali)
-13.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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